ethyl 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxypropanoate

Systemtic Name: ethyl 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxypropanoate Openeye Name: ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxypropanoate CAS Name: 2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxypropanoate Traditional Name: 2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxypropionic acid ethyl ester Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOC(=O)C(C)OC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C19H26N6O4/c1-5-7-10-25-14-15(21-18(25)24-11-8-20-9-12-24)22-19(23(4)16(14)26)29-13(3)17(27)28-6-2/h13,20H,6,8-12H2,1-4H3